SCHEMBL1164459

SCHEMBL1164459

C#Cc1cnc(C2=CCN(C(=O)OC(C)(C)C)CC2)nc1Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK13 Q14004 9/20 0.55
▸ CDK7 P50613 8/20 0.55
▸ CDK12 Q9NYV4 8/20 0.55
▸ IGF1R P08069 7/20 0.47
▸ JAK1 P23458 1/20 0.43
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31471912 0.81 CDK7 (0.57) CDK13CDK7CDK12IGF1RJAK1
SCHEMBL15809704 0.79 CCNA2 (0.41) CDK13CDK7IGF1RCCNA2CDK2
SCHEMBL1164770 0.73 CCNA2 (0.56) IGF1RCCNA2CDK2
SCHEMBL31736656 0.72 GRM1 (0.51) CDK13CDK7CDK12JAK1
SCHEMBL1164019 0.72 CCNA2 (0.58) IGF1RCCNA2CDK2
Hydrochloric Acid SCHEMBL1164234 0.71 CCNA2 (0.56) IGF1RCCNA2CDK2
SCHEMBL15809874 0.71 CCNA2 (0.56) IGF1RCCNA2CDK2
SCHEMBL21435779 0.71 CDK13 (1.00) CDK13CDK7CDK12CCNA2CDK2
Hydrochloric Acid SCHEMBL1164521 0.71 CCNA2 (0.59) IGF1RCCNA2CDK2
SCHEMBL1164366 0.70 CCNA2 (0.53) IGF1RCCNA2CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422271-B2 Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-23 — — US disclosed
US-9422271-B2 Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-23 — — US disclosed
US-9422271-B2 Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-23 — — US disclosed
US-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 — — US disclosed
US-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 — — US disclosed
US-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 — — US disclosed
EP-2464641-B1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMA (US) 2014-06-25 — — EP disclosed
EP-2464641-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2012-06-20 — — EP disclosed
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-03 — — US disclosed
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-03 — — US disclosed
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-03 — — US disclosed
WO-2011019405-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD CDK13 627/4885CDK7 209/4885CDK12 497/4885
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD CDK13 627/4885CDK7 209/4885CDK12 497/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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